SCHEMBL6482708

SCHEMBL6482708

Cc1cc(F)ccc1C1CN(C(=O)CN2CCCC2)CCC1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
TACR1 P25103 7/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
SLC6A1 P30531 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
BCHE P06276 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5158719 0.95 KDM4E (0.41) SIGMAR1KDM4EALDH1A1TMEM97TACR1
SCHEMBL5159284 0.93 SIGMAR1 (0.40) SIGMAR1KDM4ETMEM97TACR1CCNT1
SCHEMBL5161802 0.92 TACR1 (0.40) SIGMAR1KDM4EALDH1A1TMEM97TACR1
SCHEMBL5158340 0.91 MEN1 (0.44) SIGMAR1KDM4ETMEM97TACR1MEN1
SCHEMBL5162344 0.91 SIGMAR1 (0.39) SIGMAR1KDM4EALDH1A1MAPTTMEM97
SCHEMBL5174357 0.91 SIGMAR1 (0.39) SIGMAR1KDM4EALDH1A1MAPTTMEM97
SCHEMBL5156433 0.91 TACR1 (0.39) SIGMAR1KDM4EALDH1A1TMEM97TACR1
SCHEMBL5158527 0.91 TACR1 (0.39) SIGMAR1KDM4EALDH1A1TMEM97TACR1
SCHEMBL5161336 0.91 KMT2A (0.42) SIGMAR1TACR1MEN1KMT2ACCNT1
SCHEMBL5156675 0.90 TACR1 (0.47) SIGMAR1ALDH1A1TACR1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 SIGMAR1 779/4885KDM4E 2227/4885ALDH1A1 3567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.